2-[[2-(2-Amino-6-Oxo-1H-Purine-3,7-Diium-9-Yl)Acetyl]-[(2S)-2-Aminopropyl]Amino]Acetic Acid

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Formula C12H17N7O4
IUPAC Name 2-[[2-(2-amino-6-oxo-1h-purine-3,7-diium-9-yl)acetyl]-[(2s)-2-aminopropyl]amino]acetic acid
Molecular Mass 323.308 g·mol−1
Heat of Formation -531.5 ± 16.7 kJ·mol−1
Dipole Moment 8.78 ± 1.08 D
Volume 362.03 Å 3
Surface Area 307.27 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
InChIKey BBQNHTMCQMVFAL-LURJTMIESA-P
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